N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine

C19H24BrN — CID 81378982

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(CC)N[C@H](C)c2ccccc2Br)cc1
InChIInChI=1S/C19H24BrN/c1-4-15-10-12-16(13-11-15)19(5-2)21-14(3)17-8-6-7-9-18(17)20/h6-14,19,21H,4-5H2,1-3H3/t14-,19?/m1/s1
InChIKeyZRAJHQYRJVPSQI-MJTSIZKDSA-N
MW346.31 g/mol
LogP5.81
Rot. Bonds6

About N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine

N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine (PubChem CID 81378982) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
PubChem CID81378982
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(CC)N[C@H](C)c2ccccc2Br)cc1
InChIInChI=1S/C19H24BrN/c1-4-15-10-12-16(13-11-15)19(5-2)21-14(3)17-8-6-7-9-18(17)20/h6-14,19,21H,4-5H2,1-3H3/t14-,19?/m1/s1
InChIKeyZRAJHQYRJVPSQI-MJTSIZKDSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43680068
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
CID 81383700
N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 62632696
1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 81380496
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481
1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 63417123
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403395
N-[1-(2-bromophenyl)ethyl]hexan-3-amine
CID 63477080

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine (CID 81378982) is N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine is CCc1ccc(C(CC)N[C@H](C)c2ccccc2Br)cc1.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine?
The InChIKey is ZRAJHQYRJVPSQI-MJTSIZKDSA-N. The full InChI is InChI=1S/C19H24BrN/c1-4-15-10-12-16(13-11-15)19(5-2)21-14(3)17-8-6-7-9-18(17)20/h6-14,19,21H,4-5H2,1-3H3/t14-,19?/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine has a molecular weight of 346.31 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine is sourced from PubChem (CID 81378982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).